BDBM21885 2,9-disubstituted 6-oxopurine, 12i::9-[4-(decahydroquinolin-1-yl)butyl]-2-(phenylamino)-6,9-dihydro-3H-purin-6-one dihydrochloride

SMILES: O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC4CCCCC34)cnc12

InChI Key: InChIKey=WHNWGLBSXQAFNX-UHFFFAOYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21885   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Thymidine kinase (Human herpesvirus 2)	BDBM21885 (2,9-disubstituted 6-oxopurine, 12i | 9-[4-(decahyd...) Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC4CCCCC34)cnc12 Show InChI InChI=1S/C24H32N6O/c31-23-21-22(27-24(28-23)26-19-11-2-1-3-12-19)30(17-25-21)15-7-6-14-29-16-8-10-18-9-4-5-13-20(18)29/h1-3,11-12,17-18,20H,4-10,13-16H2,(H2,26,27,28,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GLSynthesis Inc.					Assay Description Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...				J Med Chem 48: 3919-29 (2005) Article DOI: 10.1021/jm049059x BindingDB Entry DOI: 10.7270/Q2D21VWD
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1)	BDBM21885 (2,9-disubstituted 6-oxopurine, 12i | 9-[4-(decahyd...) Show SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC4CCCCC34)cnc12 Show InChI InChI=1S/C24H32N6O/c31-23-21-22(27-24(28-23)26-19-11-2-1-3-12-19)30(17-25-21)15-7-6-14-29-16-8-10-18-9-4-5-13-20(18)29/h1-3,11-12,17-18,20H,4-10,13-16H2,(H2,26,27,28,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	-10.7	150	n/a	n/a	n/a	n/a	7.5	37
GLSynthesis Inc.					Assay Description Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...				J Med Chem 48: 3919-29 (2005) Article DOI: 10.1021/jm049059x BindingDB Entry DOI: 10.7270/Q2D21VWD
					More data for this Ligand-Target Pair